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(3S)-Citryl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM1107837Image of MNXM1107837
#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
formulaC27H36N7O22P3S
charge-6
mass935.08799
referenceseedM:cpd00442
InChIKeyIHVFHZGGMJDGGZ-OKWOQZSLSA-H
InChIInChI=1S/C27H42N7O22P3S/c1-26(2,20(40)23(41)30-4-3-14(35)29-5-6-60-16(38)8-27(44,25(42)43)7-15(36)37)10-53-59(50,51)56-58(48,49)52-9-13-19(55-57(45,46)47)18(39)24(54-13)34-12-33-17-21(28)31-11-32-22(17)34/h11-13,18-20,24,39-40,44H,3-10H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,42,43)(H,48,49)(H,50,51)(H2,28,31,32)(H2,45,46,47)/p-6/t13-,18-,19-,20+,24-,27?/m1/s1
SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)(CC(=O)[O-])C(=O)[O-]
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd00442
seedM:cpd00442
(3S)-Citryl-CoA
(3S)-citryl-CoA
citryl-CoA
seedM:M_cpd00442 secondary/obsolete/fantasy identifier